4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide

C16H23IN2O2 — CID 46450216

IUPAC4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
SMILESCCC(C)(CNC(=O)c1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C16H23IN2O2/c1-3-16(2,19-8-10-21-11-9-19)12-18-15(20)13-4-6-14(17)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyKWJXZVBTZNJRID-UHFFFAOYSA-N
MW402.28 g/mol
LogP2.52
Rot. Bonds5

About 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide

4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide (PubChem CID 46450216) has the molecular formula C16H23IN2O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
PubChem CID46450216
Molecular FormulaC16H23IN2O2
Molecular Weight402.28 g/mol
Exact Mass402.08
IUPAC Name4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
SMILESCCC(C)(CNC(=O)c1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C16H23IN2O2/c1-3-16(2,19-8-10-21-11-9-19)12-18-15(20)13-4-6-14(17)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyKWJXZVBTZNJRID-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46442213
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 42959789
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51082357
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 39135540
1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38357433
1-[(2R)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38357438
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
CID 17476807

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide (CID 46450216) is 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide is CCC(C)(CNC(=O)c1ccc(I)cc1)N1CCOCC1.
What is the InChIKey of 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide?
The InChIKey is KWJXZVBTZNJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O2/c1-3-16(2,19-8-10-21-11-9-19)12-18-15(20)13-4-6-14(17)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide?
4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide has a molecular weight of 402.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 46450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).